[
  {
    "molid": "mol37650",
    "smiles": "C[C@@H](O)[C@@H](C(=O)O)N(C)C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](O)[C@@H](C(=O)[O-])[NH+](C)C",
        "std_free_energy": -12.399845123291016,
        "relative_population": 0.9999733476887462
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](O)[C@@H](C(=O)O)[NH+](C)C",
        "std_free_energy": -1.6939232349395752,
        "relative_population": 0.9464718398429326
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]